7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H24N2O5 — CID 4912033

IUPAC7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C30H24N2O5/c1-3-19-12-13-24-23(15-19)28(33)26-27(32(30(34)29(26)36-24)25-14-18(2)37-31-25)21-10-7-11-22(16-21)35-17-20-8-5-4-6-9-20/h4-16,27H,3,17H2,1-2H3
InChIKeyIFMXLUHEYVZCEK-UHFFFAOYSA-N
MW492.53 g/mol
LogP5.98
Rot. Bonds6

About 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4912033) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4912033
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C30H24N2O5/c1-3-19-12-13-24-23(15-19)28(33)26-27(32(30(34)29(26)36-24)25-14-18(2)37-31-25)21-10-7-11-22(16-21)35-17-20-8-5-4-6-9-20/h4-16,27H,3,17H2,1-2H3
InChIKeyIFMXLUHEYVZCEK-UHFFFAOYSA-N
XLogP5.98
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41074881
(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7633322
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4906400
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4975674
(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7598415
7-methyl-2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858005
methyl 4-[(1S)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 41417629
(1R)-7-fluoro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7597708
7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3848651
6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4903810
7-chloro-2-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853648
7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856025

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4912033) is 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(c1cc(C)on1)C3=O.
What is the InChIKey of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IFMXLUHEYVZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-3-19-12-13-24-23(15-19)28(33)26-27(32(30(34)29(26)36-24)25-14-18(2)37-31-25)21-10-7-11-22(16-21)35-17-20-8-5-4-6-9-20/h4-16,27H,3,17H2,1-2H3.
What are the key properties of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 492.53 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4912033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).